4-[(4-fluorophenyl)-hydroxymethyl]-1-(2-methylpropyl)pyrrolidin-2-one

C15H20FNO2 — CID 82175938

IUPAC4-[(4-fluorophenyl)-hydroxymethyl]-1-(2-methylpropyl)pyrrolidin-2-one
SMILESCC(C)CN1CC(C(O)c2ccc(F)cc2)CC1=O
InChIInChI=1S/C15H20FNO2/c1-10(2)8-17-9-12(7-14(17)18)15(19)11-3-5-13(16)6-4-11/h3-6,10,12,15,19H,7-9H2,1-2H3
InChIKeyLVWUYUZPHFISJZ-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.36
Rot. Bonds4

About 4-[(4-fluorophenyl)-hydroxymethyl]-1-(2-methylpropyl)pyrrolidin-2-one

4-[(4-fluorophenyl)-hydroxymethyl]-1-(2-methylpropyl)pyrrolidin-2-one (PubChem CID 82175938) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)-hydroxymethyl]-1-(2-methylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(4-fluorophenyl)-hydroxymethyl]-1-(2-methylpropyl)pyrrolidin-2-one
PubChem CID82175938
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name4-[(4-fluorophenyl)-hydroxymethyl]-1-(2-methylpropyl)pyrrolidin-2-one
SMILESCC(C)CN1CC(C(O)c2ccc(F)cc2)CC1=O
InChIInChI=1S/C15H20FNO2/c1-10(2)8-17-9-12(7-14(17)18)15(19)11-3-5-13(16)6-4-11/h3-6,10,12,15,19H,7-9H2,1-2H3
InChIKeyLVWUYUZPHFISJZ-UHFFFAOYSA-N
XLogP2.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-4-[(4-fluorophenyl)-hydroxymethyl]pyrrolidin-2-one
CID 82175905
1-cyclopentyl-4-[(4-fluorophenyl)-hydroxymethyl]pyrrolidin-2-one
CID 82175959
4-[(4-chlorophenyl)-hydroxymethyl]-1-(3-methoxypropyl)pyrrolidin-2-one
CID 82175997
1-[2-amino-2-(2,5-difluorophenyl)ethyl]-4-propan-2-ylpyrrolidin-2-one
CID 107523061
(4R)-4-[(R)-(4-fluorophenyl)-hydroxymethyl]oxolan-2-one
CID 24879582
(3,4-difluorophenyl)-[1-(2-methylpropyl)azetidin-3-yl]methanol
CID 175315382
1-[2-(methylamino)-2-(4-methylphenyl)ethyl]-4-propan-2-ylpyrrolidin-2-one
CID 104511502
1-(3-chloro-2-hydroxypropyl)-4-propan-2-ylpyrrolidin-2-one
CID 104511295
2-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-N,N-dimethylacetamide
CID 111109219
(4-fluorophenyl)-(1-methylpiperidin-3-yl)methanol
CID 142412324
2-ethyl-1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]butan-1-one
CID 111434247
1-ethyl-4-[hydroxy(thiophen-2-yl)methyl]pyrrolidin-2-one
CID 82175881

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)-hydroxymethyl]-1-(2-methylpropyl)pyrrolidin-2-one?
The IUPAC name of 4-[(4-fluorophenyl)-hydroxymethyl]-1-(2-methylpropyl)pyrrolidin-2-one (CID 82175938) is 4-[(4-fluorophenyl)-hydroxymethyl]-1-(2-methylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[(4-fluorophenyl)-hydroxymethyl]-1-(2-methylpropyl)pyrrolidin-2-one?
The canonical SMILES for 4-[(4-fluorophenyl)-hydroxymethyl]-1-(2-methylpropyl)pyrrolidin-2-one is CC(C)CN1CC(C(O)c2ccc(F)cc2)CC1=O.
What is the InChIKey of 4-[(4-fluorophenyl)-hydroxymethyl]-1-(2-methylpropyl)pyrrolidin-2-one?
The InChIKey is LVWUYUZPHFISJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-10(2)8-17-9-12(7-14(17)18)15(19)11-3-5-13(16)6-4-11/h3-6,10,12,15,19H,7-9H2,1-2H3.
What are the key properties of 4-[(4-fluorophenyl)-hydroxymethyl]-1-(2-methylpropyl)pyrrolidin-2-one?
4-[(4-fluorophenyl)-hydroxymethyl]-1-(2-methylpropyl)pyrrolidin-2-one has a molecular weight of 265.33 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)-hydroxymethyl]-1-(2-methylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 82175938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).